sodium 7-[4-[2-(2-bromophenyl)ethylcarbamoyl]phenoxy]-6-chloranyl-3,4-dihydro-2H-chromene-4-carboxylate

Systemtic Name: sodium 7-[4-[2-(2-bromophenyl)ethylcarbamoyl]phenoxy]-6-chloranyl-3,4-dihydro-2H-chromene-4-carboxylate Openeye Name: sodium 7-[4-[2-(2-bromophenyl)ethylcarbamoyl]phenoxy]-6-chloro-chromane-4-carboxylate CAS Name: sodium 7-[4-[[2-(2-bromophenyl)ethylamino]-oxomethyl]phenoxy]-6-chloro-3,4-dihydro-2H-1-benzopyran-4-carboxylate IUPAC Name: sodium 7-[4-[2-(2-bromophenyl)ethylcarbamoyl]phenoxy]-6-chloro-3,4-dihydro-2H-chromene-4-carboxylate Traditional Name: sodium 7-[4-[2-(2-bromophenyl)ethylcarbamoyl]phenoxy]-6-chloro-chroman-4-carboxylate Formula: C25H20BrClNNaO5 MolecularWeight: 552.77677

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC(=C(C=C2C1C(=O)[O-])Cl)OC3=CC=C(C=C3)C(=O)NCCC4=CC=CC=C4Br.[Na+]

Isomeric SMILES

C1COC2=CC(=C(C=C2C1C(=O)[O-])Cl)OC3=CC=C(C=C3)C(=O)NCCC4=CC=CC=C4Br.[Na+]

InChI

InChI=1S/C25H21BrClNO5.Na/c26-20-4-2-1-3-15(20)9-11-28-24(29)16-5-7-17(8-6-16)33-23-14-22-19(13-21(23)27)18(25(30)31)10-12-32-22;/h1-8,13-14,18H,9-12H2,(H,28,29)(H,30,31);/q;+1/p-1